1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-piperonyl-3-[2-(pyrrolidinomethyl)benzyl]thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c27-21(22-12-16-7-8-19-20(11-16)26-15-25-19)23-13-17-5-1-2-6-18(17)14-24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-15H2,(H2,22,23,27)